SCHEMBL7156136

SCHEMBL7156136

Clc1ccc(C(c2ccccc2)(c2ccccc2)n2ccnc2)cc1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.80
CYP11B2 P19099 1/20 0.80
CYP19A1 P11511 13/20 0.79
NR1I2 O75469 2/20 0.68
ADORA3 P0DMS8 2/20 0.68
TBXA2R P21731 2/20 0.68
CCKBR P32239 2/20 0.68
OPRK1 P41145 2/20 0.68
SLC6A3 Q01959 2/20 0.68
KCNH2 Q12809 2/20 0.68
NR1H4 Q96RI1 2/20 0.68
CYP3A4 P08684 2/20 0.68
MEN1 O00255 1/20 0.68
SLC22A1 O15245 1/20 0.68
KCNN4 O15554 1/20 0.68
GMNN O75496 1/20 0.68
USP2 O75604 1/20 0.68
TRPM2 O94759 1/20 0.68
ABCB11 O95342 1/20 0.68
EGFR P00533 1/20 0.68

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL331966 0.93 CYP19A1 (0.90) CYP11B1CYP11B2CYP19A1NR1I2ADORA3
SCHEMBL7162563 0.93 CYP11B1 (0.69) CYP11B1CYP11B2CYP19A1NR1I2ADORA3
SCHEMBL332630 0.89 CYP11B1 (1.00) CYP11B1CYP11B2CYP19A1NR1I2ADORA3
SCHEMBL7159462 0.86 CYP11B1 (0.73) CYP11B1CYP11B2CYP19A1NR1I2ADORA3
SCHEMBL14423559 0.84 CYP19A1 (0.58) CYP11B1CYP11B2CYP19A1NR1I2ADORA3
SCHEMBL5591832 0.84 CYP19A1 (0.58) CYP11B1CYP11B2CYP19A1NR1I2ADORA3
SCHEMBL12199510 0.84 CYP11B1 (0.89) CYP11B1CYP11B2CYP19A1NR1I2ADORA3
Formaldehyde SCHEMBL27502810 0.84 CYP11B1 (0.89) CYP11B1CYP11B2CYP19A1NR1I2ADORA3
Methyl Alcohol SCHEMBL27766624 0.84 CYP11B1 (0.89) CYP11B1CYP11B2CYP19A1NR1I2ADORA3
SCHEMBL5437850 0.83 CYP11B1 (0.80) CYP11B1CYP11B2CYP19A1NR1I2ADORA3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6545028-B2 Antiepileptic agents, hypotensive agents; monitoring membrane potentials NEUROSEARCH A/S (DK) 2003-04-08 US claimed
US-20020119989-A1 Chemical compounds having ion channel blocking activity for the treatment of immune dysfunction ANIONA APS (DK) 2002-08-29 US claimed
EP-1052990-A2 CHEMICAL COMPOUNDS HAVING ION CHANNEL BLOCKING ACTIVITY FOR THE TREATMENT OF IMMUNE DYSFUNCTION NEUROSEARCH A/S (DK) 2000-11-22 EP claimed
WO-1999025347-A2 CHEMICAL COMPOUNDS HAVING ION CHANNEL BLOCKING ACTIVITY FOR THE TREATMENT OF IMMUNE DYSFUNCTION NEUROSEARCH A/S (DK) 1999-05-27 WO claimed
US-6545028-B2 Antiepileptic agents, hypotensive agents; monitoring membrane potentials NEUROSEARCH A/S (DK) 2003-04-08 US disclosed
US-20020119989-A1 Chemical compounds having ion channel blocking activity for the treatment of immune dysfunction ANIONA APS (DK) 2002-08-29 US disclosed
EP-1052990-A2 CHEMICAL COMPOUNDS HAVING ION CHANNEL BLOCKING ACTIVITY FOR THE TREATMENT OF IMMUNE DYSFUNCTION NEUROSEARCH A/S (DK) 2000-11-22 EP disclosed
WO-1999025347-A2 CHEMICAL COMPOUNDS HAVING ION CHANNEL BLOCKING ACTIVITY FOR THE TREATMENT OF IMMUNE DYSFUNCTION NEUROSEARCH A/S (DK) 1999-05-27 WO disclosed
US-3934022-A N-trityl-imidazoles as plant fungicides BAYER AKTIENGESELLSCHAFT (DT) 1976-01-20 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20020119989-A1 Chemical compounds having ion channel blocking activity for the treatment of immune dysfunction KCNN2, KCNN1, KCNJ2 CYP11B1 1840/4885CYP11B2 1328/4885CYP19A1 3799/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.